tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane

C64H68S12Si5 — CID 101345806

About tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane

tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane (PubChem CID 101345806) has the molecular formula C64H68S12Si5 and a molecular weight of 1362.48 g/mol. Its IUPAC name is tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane.

Molecular Properties

• Compound Name: tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane
• PubChem CID: 101345806
• Molecular Formula: C64H68S12Si5
• Molecular Weight: 1362.48 g/mol
• Exact Mass: 1360.08
• IUPAC Name: tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane
• SMILES: C[Si](C)(CC[Si](CC[Si](C)(C)c1ccc(-c2ccc(-c3cccs3)s2)s1)(CC[Si](C)(C)c1ccc(-c2ccc(-c3cccs3)s2)s1)CC[Si](C)(C)c1ccc(-c2ccc(-c3cccs3)s2)s1)c1ccc(-c2ccc(-c3cccs3)s2)s1
• InChI: InChI=1S/C64H68S12Si5/c1-77(2,61-29-25-57(73-61)53-21-17-49(69-53)45-13-9-33-65-45)37-41-81(42-38-78(3,4)62-30-26-58(74-62)54-22-18-50(70-54)46-14-10-34-66-46,43-39-79(5,6)63-31-27-59(75-63)55-23-19-51(71-55)47-15-11-35-67-47)44-40-80(7,8)64-32-28-60(76-64)56-24-20-52(72-56)48-16-12-36-68-48/h9-36H,37-44H2,1-8H3
• InChIKey: QJXXYYXOUBMTHF-UHFFFAOYSA-N
• XLogP: 23.97
• TPSA: 0.00 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.48
LogP ≤ 5	23.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane?

The IUPAC name of tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane (CID 101345806) is tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane.

What is the SMILES notation for tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane?

The canonical SMILES for tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane is C[Si](C)(CC[Si](CC[Si](C)(C)c1ccc(-c2ccc(-c3cccs3)s2)s1)(CC[Si](C)(C)c1ccc(-c2ccc(-c3cccs3)s2)s1)CC[Si](C)(C)c1ccc(-c2ccc(-c3cccs3)s2)s1)c1ccc(-c2ccc(-c3cccs3)s2)s1.

What is the InChIKey of tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane?

The InChIKey is QJXXYYXOUBMTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68S12Si5/c1-77(2,61-29-25-57(73-61)53-21-17-49(69-53)45-13-9-33-65-45)37-41-81(42-38-78(3,4)62-30-26-58(74-62)54-22-18-50(70-54)46-14-10-34-66-46,43-39-79(5,6)63-31-27-59(75-63)55-23-19-51(71-55)47-15-11-35-67-47)44-40-80(7,8)64-32-28-60(76-64)56-24-20-52(72-56)48-16-12-36-68-48/h9-36H,37-44H2,1-8H3.

What are the key properties of tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane?

tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane has a molecular weight of 1362.48 g/mol, XLogP of 23.97, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis[2-[dimethyl-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silyl]ethyl]silane is sourced from PubChem (CID 101345806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).